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Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'loeloff' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203205
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C35H39N3O3S/c39-35(36-33-15-9-14-30-22-26(16-19-32(30)33)25-38-20-7-2-8-21-38)24-34(28-11-3-1-4-12-28)37-42(40,41)31-18-17-27-10-5-6-13-29(27)23-31/h1,3-6,10-13,16-19,22-23,33-34,37H,2,7-9,14-15,20-21,24-25H2,(H,36,39)/t33-,34-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50203200
PNG
((R)-3-(naphthalene-7-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
Show InChI InChI=1S/C34H37N3O4S/c38-34(35-31-17-20-41-33-21-25(13-16-30(31)33)24-37-18-7-2-8-19-37)23-32(27-10-3-1-4-11-27)36-42(39,40)29-15-14-26-9-5-6-12-28(26)22-29/h1,3-6,9-16,21-22,31-32,36H,2,7-8,17-20,23-24H2,(H,35,38)/t31-,32-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244564
PNG
(4-(naphthalen-2-ylsulfonyl)-3-phenyl-N-((R)-6-(pip...)
Show SMILES O=C(CC(CS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C36H40N2O3S/c39-36(37-35-15-9-14-31-22-27(16-19-34(31)35)25-38-20-7-2-8-21-38)24-32(28-10-3-1-4-11-28)26-42(40,41)33-18-17-29-12-5-6-13-30(29)23-33/h1,3-6,10-13,16-19,22-23,32,35H,2,7-9,14-15,20-21,24-26H2,(H,37,39)/t32?,35-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244566
PNG
((2R,3S)-2,3-dihydroxy-4-(naphthalen-2-ylsulfonyl)-...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc2ccccc2c1)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H36N2O5S/c33-28(20-38(36,37)25-13-12-22-7-2-3-8-23(22)18-25)29(34)30(35)31-27-10-6-9-24-17-21(11-14-26(24)27)19-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,27-29,33-34H,1,4-6,9-10,15-16,19-20H2,(H,31,35)/t27-,28-,29-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209743
PNG
((R)-N-((R)-7-(morpholinomethyl)chroman-4-yl)-3-(na...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCOCC3)ccc12
Show InChI InChI=1S/C33H35N3O5S/c37-33(34-30-14-17-41-32-20-24(10-13-29(30)32)23-36-15-18-40-19-16-36)22-31(26-7-2-1-3-8-26)35-42(38,39)28-12-11-25-6-4-5-9-27(25)21-28/h1-13,20-21,30-31,35H,14-19,22-23H2,(H,34,37)/t30-,31-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244617
PNG
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)
Show SMILES O[C@H](CS(=O)(=O)c1cccc(c1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-7-5-8-21(15-20)38(36,37)17-24(33)25(34)26(35)31-23-9-4-6-19-14-18(10-11-22(19)23)16-32-12-2-1-3-13-32/h5,7-8,10-11,14-15,23-25,33-34H,1-4,6,9,12-13,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1
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4.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209730
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((isopropylamino)m...)
Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F4N3O4S/c1-18(2)34-17-19-6-11-24-25(12-13-40-27(24)14-19)35-28(37)16-26(20-7-9-22(30)10-8-20)36-41(38,39)23-5-3-4-21(15-23)29(31,32)33/h3-11,14-15,18,25-26,34,36H,12-13,16-17H2,1-2H3,(H,35,37)/t25-,26-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209745
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F4N3O4S/c1-29(2,3)35-18-19-7-12-24-25(13-14-41-27(24)15-19)36-28(38)17-26(20-8-10-22(31)11-9-20)37-42(39,40)23-6-4-5-21(16-23)30(32,33)34/h4-12,15-16,25-26,35,37H,13-14,17-18H2,1-3H3,(H,36,38)/t25-,26-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209736
PNG
((R)-N-((R)-7-((isobutylamino)methyl)chroman-4-yl)-...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C33H37N3O4S/c1-23(2)21-34-22-24-12-15-29-30(16-17-40-32(29)18-24)35-33(37)20-31(26-9-4-3-5-10-26)36-41(38,39)28-14-13-25-8-6-7-11-27(25)19-28/h3-15,18-19,23,30-31,34,36H,16-17,20-22H2,1-2H3,(H,35,37)/t30-,31-/m1/s1
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209718
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C29H32Cl2FN3O4S/c1-29(2,3)33-17-18-4-10-22-25(12-13-39-27(22)14-18)34-28(36)16-26(19-5-7-20(32)8-6-19)35-40(37,38)21-9-11-23(30)24(31)15-21/h4-11,14-15,25-26,33,35H,12-13,16-17H2,1-3H3,(H,34,36)/t25-,26-/m1/s1
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5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209749
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C33H37N3O4S/c1-33(2,3)34-22-23-13-16-28-29(17-18-40-31(28)19-23)35-32(37)21-30(25-10-5-4-6-11-25)36-41(38,39)27-15-14-24-9-7-8-12-26(24)20-27/h4-16,19-20,29-30,34,36H,17-18,21-22H2,1-3H3,(H,35,37)/t29-,30-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209720
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(pyrrolidin-1-ylme...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F4N3O4S/c31-23-9-7-21(8-10-23)27(36-42(39,40)24-5-3-4-22(17-24)30(32,33)34)18-29(38)35-26-12-15-41-28-16-20(6-11-25(26)28)19-37-13-1-2-14-37/h3-11,16-17,26-27,36H,1-2,12-15,18-19H2,(H,35,38)/t26-,27-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209719
PNG
((R)-3-(naphthalene-3-sulfonamido)-3-phenyl-N-((R)-...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12
Show InChI InChI=1S/C33H35N3O4S/c37-33(34-30-16-19-40-32-20-24(12-15-29(30)32)23-36-17-6-7-18-36)22-31(26-9-2-1-3-10-26)35-41(38,39)28-14-13-25-8-4-5-11-27(25)21-28/h1-5,8-15,20-21,30-31,35H,6-7,16-19,22-23H2,(H,34,37)/t30-,31-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209740
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((isobutylamino)me...)
Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C30H33F4N3O4S/c1-19(2)17-35-18-20-6-11-25-26(12-13-41-28(25)14-20)36-29(38)16-27(21-7-9-23(31)10-8-21)37-42(39,40)24-5-3-4-22(15-24)30(32,33)34/h3-11,14-15,19,26-27,35,37H,12-13,16-18H2,1-2H3,(H,36,38)/t26-,27-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244472
PNG
((S)-3-methoxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES CO[C@@H](CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)CS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C31H38N2O4S/c1-37-27(22-38(35,36)28-14-13-24-8-3-4-9-25(24)19-28)20-31(34)32-30-11-7-10-26-18-23(12-15-29(26)30)21-33-16-5-2-6-17-33/h3-4,8-9,12-15,18-19,27,30H,2,5-7,10-11,16-17,20-22H2,1H3,(H,32,34)/t27-,30+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209738
PNG
((R)-3-(3,4-dichlorophenylsulfonamido)-3-(4-fluorop...)
Show SMILES COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30Cl2FN3O5S/c1-38-13-11-32-17-18-2-8-22-25(10-12-39-27(22)14-18)33-28(35)16-26(19-3-5-20(31)6-4-19)34-40(36,37)21-7-9-23(29)24(30)15-21/h2-9,14-15,25-26,32,34H,10-13,16-17H2,1H3,(H,33,35)/t25-,26-/m1/s1
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6.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209735
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-23(30)24(31)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209725
PNG
((R)-N-((R)-7-((isopropylamino)methyl)chroman-4-yl)...)
Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C32H35N3O4S/c1-22(2)33-21-23-12-15-28-29(16-17-39-31(28)18-23)34-32(36)20-30(25-9-4-3-5-10-25)35-40(37,38)27-14-13-24-8-6-7-11-26(24)19-27/h3-15,18-19,22,29-30,33,35H,16-17,20-21H2,1-2H3,(H,34,36)/t29-,30-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209724
PNG
((R)-N-((R)-7-((ethylamino)methyl)chroman-4-yl)-3-(...)
Show SMILES CCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-2-32-21-22-12-15-27-28(16-17-38-30(27)18-22)33-31(35)20-29(24-9-4-3-5-10-24)34-39(36,37)26-14-13-23-8-6-7-11-25(23)19-26/h3-15,18-19,28-29,32,34H,2,16-17,20-21H2,1H3,(H,33,35)/t28-,29-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209731
PNG
((R)-N-((R)-7-((cyclobutylamino)methyl)chroman-4-yl...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CNC3CCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F4N3O4S/c31-22-10-8-20(9-11-22)27(37-42(39,40)24-6-1-3-21(16-24)30(32,33)34)17-29(38)36-26-13-14-41-28-15-19(7-12-25(26)28)18-35-23-4-2-5-23/h1,3,6-12,15-16,23,26-27,35,37H,2,4-5,13-14,17-18H2,(H,36,38)/t26-,27-/m1/s1
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10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244439
PNG
((2R,3S)-4-(2,3-dichlorophenylsulfonyl)-2,3-dihydro...)
Show SMILES O[C@H](CS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C26H32Cl2N2O5S/c27-20-7-5-9-23(24(20)28)36(34,35)16-22(31)25(32)26(33)29-21-8-4-6-18-14-17(10-11-19(18)21)15-30-12-2-1-3-13-30/h5,7,9-11,14,21-22,25,31-32H,1-4,6,8,12-13,15-16H2,(H,29,33)/t21-,22-,25-/m1/s1
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12.7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209727
PNG
((R)-N-((R)-7-(((2R,6S)-2,6-dimethylpiperidin-1-yl)...)
Show SMILES CC1CCCC(C)N1Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C36H41N3O4S/c1-25-9-8-10-26(2)39(25)24-27-15-18-32-33(19-20-43-35(32)21-27)37-36(40)23-34(29-12-4-3-5-13-29)38-44(41,42)31-17-16-28-11-6-7-14-30(28)22-31/h3-7,11-18,21-22,25-26,33-34,38H,8-10,19-20,23-24H2,1-2H3,(H,37,40)/t25?,26?,33-,34-/m1/s1
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13.4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209726
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-((2-methoxyethylam...)
Show SMILES COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F4N3O5S/c1-40-14-12-34-18-19-5-10-24-25(11-13-41-27(24)15-19)35-28(37)17-26(20-6-8-22(30)9-7-20)36-42(38,39)23-4-2-3-21(16-23)29(31,32)33/h2-10,15-16,25-26,34,36H,11-14,17-18H2,1H3,(H,35,37)/t25-,26-/m1/s1
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14n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244437
PNG
((2R,3S)-4-(4-tert-butylphenylsulfonyl)-2,3-dihydro...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H42N2O5S/c1-30(2,3)23-11-13-24(14-12-23)38(36,37)20-27(33)28(34)29(35)31-26-9-7-8-22-18-21(10-15-25(22)26)19-32-16-5-4-6-17-32/h10-15,18,26-28,33-34H,4-9,16-17,19-20H2,1-3H3,(H,31,35)/t26-,27-,28-/m1/s1
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15.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244438
PNG
((2R,3S)-4-(3,4-dichlorophenylsulfonyl)-2,3-dihydro...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C26H32Cl2N2O5S/c27-21-10-8-19(14-22(21)28)36(34,35)16-24(31)25(32)26(33)29-23-6-4-5-18-13-17(7-9-20(18)23)15-30-11-2-1-3-12-30/h7-10,13-14,23-25,31-32H,1-6,11-12,15-16H2,(H,29,33)/t23-,24-,25-/m1/s1
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16.9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209747
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H34F3N3O4S/c1-29(2,3)34-19-20-12-13-24-25(14-15-40-27(24)16-20)35-28(37)18-26(21-8-5-4-6-9-21)36-41(38,39)23-11-7-10-22(17-23)30(31,32)33/h4-13,16-17,25-26,34,36H,14-15,18-19H2,1-3H3,(H,35,37)/t25-,26-/m1/s1
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17.9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244470
PNG
((S)-2-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H36N2O4S/c33-29(15-18-37(35,36)26-13-12-23-7-2-3-8-24(23)20-26)30(34)31-28-10-6-9-25-19-22(11-14-27(25)28)21-32-16-4-1-5-17-32/h2-3,7-8,11-14,19-20,28-29,33H,1,4-6,9-10,15-18,21H2,(H,31,34)/t28-,29+/m1/s1
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19.1n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209739
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)c(F)cc1F)c1ccccc1
Show InChI InChI=1S/C29H32ClF2N3O4S/c1-29(2,3)33-17-18-9-10-20-24(11-12-39-26(20)13-18)34-28(36)16-25(19-7-5-4-6-8-19)35-40(37,38)27-14-21(30)22(31)15-23(27)32/h4-10,13-15,24-25,33,35H,11-12,16-17H2,1-3H3,(H,34,36)/t24-,25-/m1/s1
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20.6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209750
PNG
((R)-N-((R)-7-((cyclohexylamino)methyl)chroman-4-yl...)
Show SMILES O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CNC3CCCCC3)ccc12
Show InChI InChI=1S/C35H39N3O4S/c39-35(37-32-19-20-42-34-21-25(15-18-31(32)34)24-36-29-13-5-2-6-14-29)23-33(27-10-3-1-4-11-27)38-43(40,41)30-17-16-26-9-7-8-12-28(26)22-30/h1,3-4,7-12,15-18,21-22,29,32-33,36,38H,2,5-6,13-14,19-20,23-24H2,(H,37,39)/t32-,33-/m1/s1
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21.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244471
PNG
((R)-2-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@H](CCS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H36N2O4S/c33-29(15-18-37(35,36)26-13-12-23-7-2-3-8-24(23)20-26)30(34)31-28-10-6-9-25-19-22(11-14-27(25)28)21-32-16-4-1-5-17-32/h2-3,7-8,11-14,19-20,28-29,33H,1,4-6,9-10,15-18,21H2,(H,31,34)/t28-,29-/m1/s1
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23.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209742
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H43N3O4S/c1-32(2,3)25-13-15-26(16-14-25)41(38,39)36-29(24-10-8-7-9-11-24)21-31(37)35-28-18-19-40-30-20-23(12-17-27(28)30)22-34-33(4,5)6/h7-17,20,28-29,34,36H,18-19,21-22H2,1-6H3,(H,35,37)/t28-,29-/m1/s1
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24.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209732
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H33ClFN3O4S/c1-29(2,3)32-18-19-9-11-22-25(13-14-38-27(22)15-19)33-28(35)17-26(20-7-5-4-6-8-20)34-39(36,37)21-10-12-24(31)23(30)16-21/h4-12,15-16,25-26,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t25-,26-/m1/s1
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25.2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50411334
PNG
(CHEMBL2113274)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C29H34ClN3O4S/c1-29(2,3)31-19-20-12-13-24-25(14-15-37-27(24)16-20)32-28(34)18-26(21-8-5-4-6-9-21)33-38(35,36)23-11-7-10-22(30)17-23/h4-13,16-17,25-26,31,33H,14-15,18-19H2,1-3H3,(H,32,34)/t25-,26-/m1/s1
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27.7n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209737
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES Cc1c(Cl)cccc1S(=O)(=O)N[C@H](CC(=O)N[C@@H]1CCOc2cc(CNC(C)(C)C)ccc12)c1ccccc1
Show InChI InChI=1S/C30H36ClN3O4S/c1-20-24(31)11-8-12-28(20)39(36,37)34-26(22-9-6-5-7-10-22)18-29(35)33-25-15-16-38-27-17-21(13-14-23(25)27)19-32-30(2,3)4/h5-14,17,25-26,32,34H,15-16,18-19H2,1-4H3,(H,33,35)/t25-,26-/m1/s1
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40.6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244435
PNG
((S)-3-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@@H](CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)CS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H36N2O4S/c33-26(21-37(35,36)27-13-12-23-7-2-3-8-24(23)18-27)19-30(34)31-29-10-6-9-25-17-22(11-14-28(25)29)20-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,26,29,33H,1,4-6,9-10,15-16,19-21H2,(H,31,34)/t26-,29+/m0/s1
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41.4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244568
PNG
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)
Show SMILES O[C@H](CS(=O)(=O)c1ccccc1C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)21-8-2-3-10-24(21)38(36,37)17-23(33)25(34)26(35)31-22-9-6-7-19-15-18(11-12-20(19)22)16-32-13-4-1-5-14-32/h2-3,8,10-12,15,22-23,25,33-34H,1,4-7,9,13-14,16-17H2,(H,31,35)/t22-,23-,25-/m1/s1
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43.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244618
PNG
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)
Show SMILES O[C@H](CS(=O)(=O)c1ccc(cc1)C(F)(F)F)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C27H33F3N2O5S/c28-27(29,30)20-8-10-21(11-9-20)38(36,37)17-24(33)25(34)26(35)31-23-6-4-5-19-15-18(7-12-22(19)23)16-32-13-2-1-3-14-32/h7-12,15,23-25,33-34H,1-6,13-14,16-17H2,(H,31,35)/t23-,24-,25-/m1/s1
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48.4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244619
PNG
((2R,3S)-4-(3-chlorophenylsulfonyl)-2,3-dihydroxy-N...)
Show SMILES O[C@H](CS(=O)(=O)c1cccc(Cl)c1)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C26H33ClN2O5S/c27-20-7-5-8-21(15-20)35(33,34)17-24(30)25(31)26(32)28-23-9-4-6-19-14-18(10-11-22(19)23)16-29-12-2-1-3-13-29/h5,7-8,10-11,14-15,23-25,30-31H,1-4,6,9,12-13,16-17H2,(H,28,32)/t23-,24-,25-/m1/s1
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54.4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244434
PNG
((R)-4-(naphthalen-2-ylsulfonyl)-N-(6-(piperidin-1-...)
Show SMILES O=C(CCCS(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C30H36N2O3S/c33-30(12-7-19-36(34,35)27-15-14-24-8-2-3-9-25(24)21-27)31-29-11-6-10-26-20-23(13-16-28(26)29)22-32-17-4-1-5-18-32/h2-3,8-9,13-16,20-21,29H,1,4-7,10-12,17-19,22H2,(H,31,33)/t29-/m1/s1
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59.9n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209734
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H34F3N3O4S/c1-29(2,3)34-19-20-9-14-24-25(15-16-40-27(24)17-20)35-28(37)18-26(21-7-5-4-6-8-21)36-41(38,39)23-12-10-22(11-13-23)30(31,32)33/h4-14,17,25-26,34,36H,15-16,18-19H2,1-3H3,(H,35,37)/t25-,26-/m1/s1
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77.6n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209751
PNG
((R)-N-((R)-7-((dimethylamino)methyl)chroman-4-yl)-...)
Show SMILES CN(C)Cc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C31H33N3O4S/c1-34(2)21-22-12-15-27-28(16-17-38-30(27)18-22)32-31(35)20-29(24-9-4-3-5-10-24)33-39(36,37)26-14-13-23-8-6-7-11-25(23)19-26/h3-15,18-19,28-29,33H,16-17,20-21H2,1-2H3,(H,32,35)/t28-,29-/m1/s1
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84.8n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244436
PNG
((R)-3-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@H](CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)CS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H36N2O4S/c33-26(21-37(35,36)27-13-12-23-7-2-3-8-24(23)18-27)19-30(34)31-29-10-6-9-25-17-22(11-14-28(25)29)20-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,26,29,33H,1,4-6,9-10,15-16,19-21H2,(H,31,34)/t26-,29-/m1/s1
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100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209722
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H33F3N4O4S/c1-30(2,3)36-19-21-9-12-25-26(13-14-42-28(25)15-21)37-29(39)17-27(22-10-7-20(18-35)8-11-22)38-43(40,41)24-6-4-5-23(16-24)31(32,33)34/h4-12,15-16,26-27,36,38H,13-14,17,19H2,1-3H3,(H,37,39)/t26-,27-/m1/s1
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120n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209741
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C29H33Cl2N3O4S/c1-29(2,3)32-18-19-9-11-22-24(13-14-38-26(22)15-19)33-28(35)17-25(20-7-5-4-6-8-20)34-39(36,37)27-12-10-21(30)16-23(27)31/h4-12,15-16,24-25,32,34H,13-14,17-18H2,1-3H3,(H,33,35)/t24-,25-/m1/s1
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127n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50209744
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmet...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
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127n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209746
PNG
((R)-N-((R)-7-((tert-butylamino)methyl)chroman-4-yl...)
Show SMILES CC(C)(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H34ClN3O4S/c1-29(2,3)31-19-20-9-14-24-25(15-16-37-27(24)17-20)32-28(34)18-26(21-7-5-4-6-8-21)33-38(35,36)23-12-10-22(30)11-13-23/h4-14,17,25-26,31,33H,15-16,18-19H2,1-3H3,(H,32,34)/t25-,26-/m1/s1
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132n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244620
PNG
((2R,3S)-2,3-dihydroxy-N-((R)-6-(piperidin-1-ylmeth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)C[C@@H](O)[C@@H](O)C(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C27H36N2O5S/c1-19-8-11-22(12-9-19)35(33,34)18-25(30)26(31)27(32)28-24-7-5-6-21-16-20(10-13-23(21)24)17-29-14-3-2-4-15-29/h8-13,16,24-26,30-31H,2-7,14-15,17-18H2,1H3,(H,28,32)/t24-,25-,26-/m1/s1
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138n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50209733
PNG
((R)-N-((R)-7-((methylamino)methyl)chroman-4-yl)-3-...)
Show SMILES CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C30H31N3O4S/c1-31-20-21-11-14-26-27(15-16-37-29(26)17-21)32-30(34)19-28(23-8-3-2-4-9-23)33-38(35,36)25-13-12-22-7-5-6-10-24(22)18-25/h2-14,17-18,27-28,31,33H,15-16,19-20H2,1H3,(H,32,34)/t27-,28-/m1/s1
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138n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
BDKRB1


(RAT)
BDBM50209720
PNG
((R)-3-(4-fluorophenyl)-N-((R)-7-(pyrrolidin-1-ylme...)
Show SMILES Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F4N3O4S/c31-23-9-7-21(8-10-23)27(36-42(39,40)24-5-3-4-22(17-24)30(32,33)34)18-29(38)35-26-12-15-41-28-16-20(6-11-25(26)28)19-37-13-1-2-14-37/h3-11,16-17,26-27,36H,1-2,12-15,18-19H2,(H,35,38)/t26-,27-/m1/s1
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151n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat bradykinin B1 receptor


J Med Chem 50: 2200-12 (2007)


Article DOI: 10.1021/jm070055c
BindingDB Entry DOI: 10.7270/Q2MS3SG2
More data for this
Ligand-Target Pair
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